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Crystal structure analysis of a ternary S-domain complex of human signal recognition particle

Analyse Crystal structure analysis of a ternary S-domain complex of human signal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1MFQ
Type
protein + RNA
Length
343 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
7S RNA of human srp; Signal recognition particle 19KDA protein; Signal recognition…
UniProt
P09132, P61011
Ligands
MG, CL
Pockets
6 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 47% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A7S RNA of human srprna128——
BSignal recognition particle 19KDA proteinprotein10730% helix, 16% strandP09132
CSignal recognition particle 54KDA proteinprotein10864% helix, 0% strandP61011

Ligands and binding sites

  • MG · Magnesium ion · metal · 5 copies · chains A
  • CL · Chloride ion · ion · 2 copies · chains A, B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111700.770.7984MG, CL
29230.670.7445MG
31810.500.7721empty
41010.420.7812empty
51130.340.7317empty

Interfaces

3 interfaces between chains.

  • A–B · 972 Ų buried · 43 hydrogen bonds · protein-nucleic
  • A–C · 564 Ų buried · 22 hydrogen bonds · protein-nucleic
  • B–C · 139 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 1MFQ · Crystal Structure Analysis of a Ternary S-Domain Complex of Human Signal Recognition… · the same entry in another collection · chain A against A, TM-score 1.00
  • P09132 · AlphaFold monomer V2.0 prediction for signal recognition particle 19 kda protein (P09132) · a predicted model of the same protein · chain B against A, TM-score 0.99
  • P61011 · AlphaFold monomer V2.0 prediction for signal recognition particle 54 kda protein (P61011) · a predicted model of the same protein · chain C against A, TM-score 0.67

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